methyl 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[4-(4-fluorophenyl)piperazino]sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OCC(=O)OC

InChI

InChI=1S/C20H23FN2O5S/c1-15-13-18(7-8-19(15)28-14-20(24)27-2)29(25,26)23-11-9-22(10-12-23)17-5-3-16(21)4-6-17/h3-8,13H,9-12,14H2,1-2H3